Chlorine in PDB 6d0p: 1.88 Angstrom Resolution Crystal Structure of Quercetin 2,3- Dioxygenase From Acinetobacter Baumannii

The structure of 1.88 Angstrom Resolution Crystal Structure of Quercetin 2,3- Dioxygenase From Acinetobacter Baumannii, PDB code: 6d0p was solved by G.Minasov, L.Shuvalova, J.S.Brunzelle, I.Dubrovska, O.Kiryukhina, M.Endres, W.F.Anderson, K.J.F.Satchell, A.Joachimiak, Center Forstructural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.81 / 1.88
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	95.481, 131.977, 123.987, 90.00, 103.58, 90.00
R / Rfree (%)	15.8 / 19

The structure of 1.88 Angstrom Resolution Crystal Structure of Quercetin 2,3- Dioxygenase From Acinetobacter Baumannii also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Manganese	(Mn)	4 atoms

The binding sites of Chlorine atom in the 1.88 Angstrom Resolution Crystal Structure of Quercetin 2,3- Dioxygenase From Acinetobacter Baumannii (pdb code 6d0p). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the 1.88 Angstrom Resolution Crystal Structure of Quercetin 2,3- Dioxygenase From Acinetobacter Baumannii, PDB code: 6d0p:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the 1.88 Angstrom Resolution Crystal Structure of Quercetin 2,3- Dioxygenase From Acinetobacter Baumannii


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.88 Angstrom Resolution Crystal Structure of Quercetin 2,3- Dioxygenase From Acinetobacter Baumannii within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:29.7 occ:1.00 ND2 B:ASN48 3.2 27.8 1.0 O B:HOH593 3.2 39.0 1.0 CD2 B:LEU119 3.7 27.7 1.0 CB B:ASN48 3.8 22.8 1.0 CG B:ASN48 4.0 24.8 1.0 CG B:LEU119 4.1 26.4 1.0 CD1 B:LEU119 4.3 28.2 1.0 O B:HOH526 4.8 36.9 1.0 O B:HOH654 4.9 37.6 1.0

Chlorine binding site 2 out of 2 in the 1.88 Angstrom Resolution Crystal Structure of Quercetin 2,3- Dioxygenase From Acinetobacter Baumannii


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.88 Angstrom Resolution Crystal Structure of Quercetin 2,3- Dioxygenase From Acinetobacter Baumannii within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl301 b:39.7 occ:1.00 O D:HOH602 2.9 43.7 1.0 N D:ARG230 3.2 29.2 1.0 O D:HOH552 3.2 42.0 1.0 CA D:SER229 3.7 28.2 1.0 CD1 D:LEU5 3.7 30.4 1.0 CG D:ARG230 3.7 29.4 1.0 CB D:ARG230 3.9 30.1 1.0 C D:SER229 3.9 28.5 1.0 CB D:SER229 4.1 29.6 1.0 CA D:ARG230 4.1 30.3 1.0 CD D:ARG230 4.3 30.5 1.0 O D:HOH515 4.5 29.8 1.0 O D:LEU228 4.7 26.4 1.0 O D:HOH595 4.7 42.3 1.0 N D:SER229 4.8 27.0 1.0 NE D:ARG230 4.9 30.2 1.0 N D:GLU231 4.9 34.0 1.0

G.Minasov, L.Shuvalova, J.S.Brunzelle, I.Dubrovska, O.Kiryukhina, M.Endres, W.F.Anderson, K.J.F.Satchell, A.Joachimiak. 1.88 Angstrom Resolution Crystal Structure of Quercetin 2,3-Dioxygenase From Acinetobacter Baumannii To Be Published.